Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | MEN1 | O00255 | 7/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.53 |
| ▸ | POLB | P06746 | 4/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | DDX3X | O00571 | 1/20 | 0.51 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | TNF | P01375 | 2/20 | 0.49 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.49 |
| ▸ | POLA1 | P09884 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29176354 | 0.85 | NPC1 (0.58) | RAB9ANPC1MEN1KMT2APOLB | |
| SCHEMBL29176363 | 0.81 | NPC1 (0.71) | RAB9ANPC1POLBLMNASMN1; SMN2 | |
| SCHEMBL29176325 | 0.81 | NHERF1 (0.56) | RAB9ANPC1MEN1KMT2AMAPT | |
| SCHEMBL29176334 | 0.81 | NPC1 (0.52) | RAB9ANPC1MEN1KMT2AMAPT | |
| SCHEMBL30762254 | 0.81 | TP53 (0.56) | RAB9ANPC1MEN1KMT2APOLB | |
| SCHEMBL29176356 | 0.81 | TP53 (0.56) | RAB9ANPC1MEN1KMT2APOLB | |
| SCHEMBL29176336 | 0.81 | NPC1 (0.52) | RAB9ANPC1MEN1KMT2APOLB | |
| SCHEMBL1454159 | 0.79 | MEN1 (0.74) | RAB9ANPC1MEN1KMT2AMAPT | |
| SCHEMBL17422865 | 0.79 | NPC1 (0.57) | RAB9ANPC1MEN1KMT2ALMNA | |
| SCHEMBL30762244 | 0.79 | NPC1 (0.57) | RAB9ANPC1MEN1KMT2ALMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024109642-A1 | USE OF BENZOAZACYCLIC COMPOUND AS ALLOSTERIC MODULATOR OF β2-ADRENOCEPTOR | 常州大学 | 2024-05-30 | — | — | WO | disclosed |
| CN-117447381-A | Indole amide derivative and its application in preparing beta 2 Use of adrenoreceptor allosteric antagonist medicaments | 常州大学 | 2024-01-26 | — | — | CN | disclosed |